(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

C13H16O2 — CID 134831870

IUPAC(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCCC1(O)C=CC(=O)C2C3C=CC(C3)C21
InChIInChI=1S/C13H16O2/c1-2-13(15)6-5-10(14)11-8-3-4-9(7-8)12(11)13/h3-6,8-9,11-12,15H,2,7H2,1H3
InChIKeyJXVIWYCVNJHWCT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.70
Rot. Bonds1

About (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one

(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (PubChem CID 134831870) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.

Molecular Properties

Compound Name(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
PubChem CID134831870
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
SMILESCCC1(O)C=CC(=O)C2C3C=CC(C3)C21
InChIInChI=1S/C13H16O2/c1-2-13(15)6-5-10(14)11-8-3-4-9(7-8)12(11)13/h3-6,8-9,11-12,15H,2,7H2,1H3
InChIKeyJXVIWYCVNJHWCT-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
(3R,3aR,7aR)-3-hydroxy-3,7-dimethyl-2,3a,4,7a-tetrahydro-1H-inden-5-one
CID 101888470
(3S,3aE,6S,9S,9aR)-3-hydroxy-3,6,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-cyclopenta[8]annulen-5-one
CID 15475314
4-Hydroxy-1,10-secocadin-5-ene-1,10-dione
CID 100936118
4-Hydroxy-4-methyl-2-(2-methyl-6-oxoheptan-3-yl)cyclohex-2-en-1-one
CID 10753332
(1R,2S,6S,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 11137652
4-Hydroxy-4-(1-methyl-octyl)-cyclohex-2-enone
CID 86053690
1-[(3R,3aR,7aS)-3a-hydroxy-3-methyl-7a-propan-2-yl-2,3,4,7-tetrahydro-1H-inden-5-yl]ethanone
CID 91546010
(6R)-6-ethyl-6-triethylsilyloxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 134831967
(1S,2R,6R,7S,8R)-6-methoxy-6-methyltricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 154720340

Frequently Asked Questions

What is the IUPAC name of (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The IUPAC name of (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one (CID 134831870) is (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one.
What is the SMILES notation for (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The canonical SMILES for (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is CCC1(O)C=CC(=O)C2C3C=CC(C3)C21.
What is the InChIKey of (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
The InChIKey is JXVIWYCVNJHWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-13(15)6-5-10(14)11-8-3-4-9(7-8)12(11)13/h3-6,8-9,11-12,15H,2,7H2,1H3.
What are the key properties of (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one?
(6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one has a molecular weight of 204.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-ethyl-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one is sourced from PubChem (CID 134831870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).